Geometry & MOs

Info

ID:	308236
PubChem CID:	125324333
Reduced:	NO6C18H25 (1)
Stoich.:	AB6C18D25 (1)
Weight, g/mol:	439.055501
ΔH_f, kcal/mol:	-253.76
Dipole, Da:	7.03
IP(EA), eV:	-8.86(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-4-amino-2-[2-[[(2R)-2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl]amino]-2-oxoethyl]sulfanyl-6-oxo-5H-pyrimidin-5-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C(=C1O)[C@@H]2CCN(C[C@H]2OC(=O)C)C)OC)OC

DOS

IR

Vibrations