Geometry & MOs

Info

ID:

128229

PubChem CID:

51036770

Reduced:

SCl2N4O4C29H32 (1)

Stoich.:

AB2C4D4E29F32 (1)

Weight, g/mol:

852.424419

ΔHf, kcal/mol:

-82.28

Dipole, Da:

5.06

IP(EA), eV:

 -8.88(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]-3-[2-[3-[2-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethyl]phenyl]ethoxy]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCCN2CCC(CC2)C(=O)O)C)C3=NN=C(S3)N(CC4CC4)C(=O)C5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations