Geometry & MOs

Info

ID:	188867
PubChem CID:	77776580
Reduced:	SN5O7C30H33 (1)
Stoich.:	AB5C7D30E33 (1)
Weight, g/mol:	389.206304
ΔH_f, kcal/mol:	-227.44
Dipole, Da:	7.48
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC(=O)NC(CCSC)C(=O)NCC(C3=CC4=C(C=C3)OCO4)C(=O)O

DOS

IR

Vibrations