Geometry & MOs

Info

ID:	159048
PubChem CID:	57260070
Reduced:	O2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	479.147469
ΔH_f, kcal/mol:	-100.69
Dipole, Da:	1.95
IP(EA), eV:	-8.46(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-[2-(2-amino-4-oxo-1,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-6-yl)ethyl]thiophen-2-yl]oxycarbonylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)C(C)CC(C)C2=CC(=C(C(=C2)C)O)C

DOS

IR

Vibrations