Geometry & MOs

Info

ID:

168659

PubChem CID:

74999880

Reduced:

SN15O16C54H83 (1)

Stoich.:

AB15C16D54E83 (1)

Weight, g/mol:

444.183127

ΔHf, kcal/mol:

-716.39

Dipole, Da:

4.52

IP(EA), eV:

 -8.88(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,4-dioxo-5,7,8,8a-tetrahydro-4aH-thiopyrano[4,3-d]pyrimidin-1-yl)-N-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCS)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations